Information card for entry 2204529
Chemical name |
4,8-anhydro-1,2,3,5-tetradeoxy-D-allo-non-1-enitol |
Formula |
C9 H16 O4 |
Calculated formula |
C9 H16 O4 |
SMILES |
O[C@H]1C[C@H](O[C@@H]([C@H]1O)CO)CC=C |
Title of publication |
4,8-Anhydro-1,2,3,5-tetradeoxy-<small>D</small>-<i>allo</i>-non-1-enitol |
Authors of publication |
Rhoad, Jonathon S.; Lowary, Todd L.; Ferguson, Michael J. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2004 |
Journal volume |
60 |
Journal issue |
11 |
Pages of publication |
o1942 - o1944 |
a |
13.3072 ± 0.0014 Å |
b |
13.3072 ± 0.0014 Å |
c |
5.1172 ± 0.0011 Å |
α |
90° |
β |
90° |
γ |
120° |
Cell volume |
784.8 ± 0.2 Å3 |
Cell temperature |
193 ± 2 K |
Ambient diffraction temperature |
193 ± 2 K |
Number of distinct elements |
3 |
Space group number |
145 |
Hermann-Mauguin space group symbol |
P 32 |
Hall space group symbol |
P 32 |
Residual factor for all reflections |
0.1024 |
Residual factor for significantly intense reflections |
0.0631 |
Weighted residual factors for significantly intense reflections |
0.1459 |
Weighted residual factors for all reflections included in the refinement |
0.1788 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.143 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2204529.html